An R Library for Compositional Data Analysis in Archaeometry

Compositional data naturally arises from the scientific analysis of the chemicalcomposition of archaeological material such as ceramic and glass artefacts. Data of thistype can be explored using a variety of techniques, from standard multivariate methodssuch as principal components analysis and cluster analysis, to methods based upon theuse of log-ratios. The general aim is to identify groups of chemically similar artefactsthat could potentially be used to answer questions of provenance.This paper will demonstrate work in progress on the development of a documentedlibrary of methods, implemented using the statistical package R, for the analysis ofcompositional data. R is an open source package that makes available very powerfulstatistical facilities at no cost. We aim to show how, with the aid of statistical softwaresuch as R, traditional exploratory multivariate analysis can easily be used alongside, orin combination with, specialist techniques of compositional data analysis.The library has been developed from a core of basic R functionality, together withpurpose-written routines arising from our own research (for example that reported atCoDaWork'03). In addition, we have included other appropriate publicly availabletechniques and libraries that have been implemented in R by other authors. Availablefunctions range from standard multivariate techniques through to various approaches tolog-ratio analysis and zero replacement. We also discuss and demonstrate a smallselection of relatively new techniques that have hitherto been little-used inarchaeometric applications involving compositional data. The application of the libraryto the analysis of data arising in archaeometry will be demonstrated; results fromdifferent analyses will be compared; and the utility of the various methods discussedGeologische Vereinigung; Institut d’Estadística de Catalunya; International Association for Mathematical Geology; Patronat de l’Escola Politècnica Superior de la Universitat de Girona; Fundació privada: Girona, Universitat i Futur; Càtedra Lluís Santaló d’Aplicacions de la Matemàtica; Consell Social de la Universitat de Girona; Ministerio de Ciencia i Tecnología

Compositional analysis of archaeological glasses

At CoDaWork'03 we presented work on the analysis of archaeological glass composi-tional data. Such data typically consist of geochemical compositions involving 10-12variables and approximates completely compositional data if the main component, sil-ica, is included. We suggested that what has been termed `crude' principal componentanalysis (PCA) of standardized data often identi ed interpretable pattern in the datamore readily than analyses based on log-ratio transformed data (LRA). The funda-mental problem is that, in LRA, minor oxides with high relative variation, that maynot be structure carrying, can dominate an analysis and obscure pattern associatedwith variables present at higher absolute levels. We investigate this further using sub-compositional data relating to archaeological glasses found on Israeli sites. A simplemodel for glass-making is that it is based on a `recipe' consisting of two `ingredients',sand and a source of soda. Our analysis focuses on the sub-composition of componentsassociated with the sand source. A `crude' PCA of standardized data shows two clearcompositional groups that can be interpreted in terms of di erent recipes being used atdi erent periods, reected in absolute di erences in the composition. LRA analysis canbe undertaken either by normalizing the data or de ning a `residual'. In either case,after some `tuning', these groups are recovered. The results from the normalized LRAare di erently interpreted as showing that the source of sand used to make the glassdi ered. These results are complementary. One relates to the recipe used. The otherrelates to the composition (and presumed sources) of one of the ingredients. It seemsto be axiomatic in some expositions of LRA that statistical analysis of compositionaldata should focus on relative variation via the use of ratios. Our analysis suggests thatabsolute di erences can also be informativeGeologische Vereinigung; Institut d’Estadística de Catalunya; International Association for Mathematical Geology; Patronat de l’Escola Politècnica Superior de la Universitat de Girona; Fundació privada: Girona, Universitat i Futur; Càtedra Lluís Santaló d’Aplicacions de la Matemàtica; Consell Social de la Universitat de Girona; Ministerio de Ciencia i Tecnología

Compositional data analysis of archaeological glass: problems and possible solutions

Presentation in CODAWORK'03, session 4: Applications to archeometryGeologische Vereinigung; Universitat de Barcelona, Equip de Recerca Arqueomètrica; Institut d’Estadística de Catalunya; International Association for Mathematical Geology; Patronat de l’Escola Politècnica Superior de la Universitat de Girona; Fundació privada: Girona, Universitat i Futur

Compositional data analysis in archaeometry

We shall call an n × p data matrix fully-compositional if the rows sum to a constant, and sub-compositional if the variables are a subset of a fully-compositional data set1. Such data occur widely in archaeometry, where it is common to determine the chemical composition of ceramic, glass, metal or other artefacts using techniques such as neutron activation analysis (NAA), inductively coupled plasma spectroscopy (ICPS), X-ray fluorescence analysis (XRF) etc. Interest often centres on whether there are distinct chemical groups within the data and whether, for example, these can be associated with different origins or manufacturing technologiesGeologische Vereinigung; Universitat de Barcelona, Equip de Recerca Arqueomètrica; Institut d’Estadística de Catalunya; International Association for Mathematical Geology; Patronat de l’Escola Politècnica Superior de la Universitat de Girona; Fundació privada: Girona, Universitat i Futur